# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MoNiTi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.280581096e+02 2.280581096e+02 1.30 2.106260055e+02 2.106260055e+02 1.32 1.945333460e+02 1.945333460e+02 1.34 1.796646773e+02 1.796646773e+02 1.36 1.659140213e+02 1.659140213e+02 1.38 1.531860213e+02 1.531860213e+02 1.40 1.413956220e+02 1.413956220e+02 1.42 1.304670573e+02 1.304670573e+02 1.44 1.203329116e+02 1.203329116e+02 1.46 1.109331310e+02 1.109331310e+02 1.48 1.022136664e+02 1.022136664e+02 1.50 9.412510637e+01 9.412510637e+01 1.52 8.662186326e+01 8.662186326e+01 1.54 7.966196080e+01 7.966196080e+01 1.56 7.320701637e+01 7.320701637e+01 1.58 6.722200089e+01 6.722200089e+01 1.60 6.167472191e+01 6.167472191e+01 1.62 5.653528249e+01 5.653528249e+01 1.64 5.177565339e+01 5.177565339e+01 1.66 4.736926228e+01 4.736926228e+01 1.68 4.329059224e+01 4.329059224e+01 1.70 3.951498649e+01 3.951498649e+01 1.72 3.601879134e+01 3.601879134e+01 1.74 3.277971138e+01 3.277971138e+01 1.76 2.977711272e+01 2.977711272e+01 1.78 2.699214694e+01 2.699214694e+01 1.80 2.440808232e+01 2.440808232e+01 1.82 2.201202752e+01 2.201202752e+01 1.84 1.979081332e+01 1.979081332e+01 1.86 1.773235328e+01 1.773235328e+01 1.88 1.582585693e+01 1.582585693e+01 1.90 1.406146226e+01 1.406146226e+01 1.92 1.242991622e+01 1.242991622e+01 1.94 1.092238170e+01 1.092238170e+01 1.96 9.530392695e+00 9.530392695e+00 1.98 8.245907621e+00 8.245907621e+00 2.00 7.061364063e+00 7.061364063e+00 2.02 5.969667469e+00 5.969667469e+00 2.04 4.964123533e+00 4.964123533e+00 2.06 4.038373462e+00 4.038373462e+00 2.08 3.186379166e+00 3.186379166e+00 2.10 2.402459426e+00 2.402459426e+00 2.12 1.681342808e+00 1.681342808e+00 2.14 1.018201866e+00 1.018201866e+00 2.16 4.086541808e-01 4.086541808e-01 2.18 -1.512683025e-01 -1.512683025e-01 2.20 -6.651732949e-01 -6.651732949e-01 2.22 -1.136375757e+00 -1.136375757e+00 2.24 -1.567964016e+00 -1.567964016e+00 2.26 -1.962849263e+00 -1.962849263e+00 2.28 -2.323790061e+00 -2.323790061e+00 2.30 -2.653393049e+00 -2.653393049e+00 2.32 -2.954100131e+00 -2.954100131e+00 2.34 -3.228167736e+00 -3.228167736e+00 2.36 -3.477647434e+00 -3.477647434e+00 2.38 -3.704374461e+00 -3.704374461e+00 2.40 -3.909972588e+00 -3.909972588e+00 2.42 -4.095877185e+00 -4.095877185e+00 2.44 -4.263370394e+00 -4.263370394e+00 2.46 -4.413619141e+00 -4.413619141e+00 2.48 -4.547707015e+00 -4.547707015e+00 2.50 -4.666655422e+00 -4.666655422e+00 2.52 -4.771433437e+00 -4.771433437e+00 2.54 -4.862958856e+00 -4.862958856e+00 2.56 -4.942094791e+00 -4.942094791e+00 2.58 -5.009610884e+00 -5.009610884e+00 2.60 -5.066164209e+00 -5.066164209e+00 2.62 -5.112546112e+00 -5.112546112e+00 2.64 -5.149503113e+00 -5.149503113e+00 2.66 -5.177730007e+00 -5.177730007e+00 2.68 -5.197921117e+00 -5.197921117e+00 2.70 -5.210768069e+00 -5.210768069e+00 2.72 -5.216775795e+00 -5.216775795e+00 2.74 -5.216437520e+00 -5.216437520e+00 2.76 -5.210210920e+00 -5.210210920e+00 2.78 -5.198409543e+00 -5.198409543e+00 2.80 -5.181318403e+00 -5.181318403e+00 2.82 -5.159228020e+00 -5.159228020e+00 2.84 -5.132423255e+00 -5.132423255e+00 2.86 -5.101048687e+00 -5.101048687e+00 2.88 -5.064988174e+00 -5.064988174e+00 2.90 -5.024117009e+00 -5.024117009e+00 2.92 -4.978396756e+00 -4.978396756e+00 2.94 -4.927871085e+00 -4.927871085e+00 2.96 -4.872661497e+00 -4.872661497e+00 2.98 -4.812962943e+00 -4.812962943e+00 3.00 -4.749037784e+00 -4.749037784e+00 3.02 -4.681205832e+00 -4.681205832e+00 3.04 -4.609828455e+00 -4.609828455e+00 3.06 -4.535287007e+00 -4.535287007e+00 3.08 -4.457957206e+00 -4.457957206e+00 3.10 -4.378185653e+00 -4.378185653e+00 3.12 -4.296272266e+00 -4.296272266e+00 3.14 -4.212462532e+00 -4.212462532e+00 3.16 -4.126948240e+00 -4.126948240e+00 3.18 -4.039876111e+00 -4.039876111e+00 3.20 -3.951359720e+00 -3.951359720e+00 3.22 -3.861492486e+00 -3.861492486e+00 3.24 -3.770359853e+00 -3.770359853e+00 3.26 -3.678049921e+00 -3.678049921e+00 3.28 -3.584662373e+00 -3.584662373e+00 3.30 -3.490315839e+00 -3.490315839e+00 3.32 -3.395153774e+00 -3.395153774e+00 3.34 -3.299348820e+00 -3.299348820e+00 3.36 -3.203105433e+00 -3.203105433e+00 3.38 -3.106660516e+00 -3.106660516e+00 3.40 -3.010281815e+00 -3.010281815e+00 3.42 -2.914264151e+00 -2.914264151e+00 3.44 -2.818923217e+00 -2.818923217e+00 3.46 -2.724587852e+00 -2.724587852e+00 3.48 -2.631590810e+00 -2.631590810e+00 3.50 -2.540258705e+00 -2.540258705e+00 3.52 -2.450901543e+00 -2.450901543e+00 3.54 -2.363802233e+00 -2.363802233e+00 3.56 -2.279206560e+00 -2.279206560e+00 3.58 -2.197314280e+00 -2.197314280e+00 3.60 -2.118272274e+00 -2.118272274e+00 3.62 -2.042170745e+00 -2.042170745e+00 3.64 -1.969043211e+00 -1.969043211e+00 3.66 -1.898870463e+00 -1.898870463e+00 3.68 -1.831587981e+00 -1.831587981e+00 3.70 -1.767095700e+00 -1.767095700e+00 3.72 -1.705268817e+00 -1.705268817e+00 3.74 -1.645968373e+00 -1.645968373e+00 3.76 -1.589050674e+00 -1.589050674e+00 3.78 -1.534374989e+00 -1.534374989e+00 3.80 -1.481809266e+00 -1.481809266e+00 3.82 -1.431233837e+00 -1.431233837e+00 3.84 -1.382543227e+00 -1.382543227e+00 3.86 -1.335646259e+00 -1.335646259e+00 3.88 -1.290464758e+00 -1.290464758e+00 3.90 -1.246931194e+00 -1.246931194e+00 3.92 -1.204985699e+00 -1.204985699e+00 3.94 -1.164573190e+00 -1.164573190e+00 3.96 -1.125640270e+00 -1.125640270e+00 3.98 -1.088133317e+00 -1.088133317e+00 4.00 -1.051997087e+00 -1.051997087e+00 4.02 -1.017174173e+00 -1.017174173e+00 4.04 -9.836051538e-01 -9.836051538e-01 4.06 -9.512292066e-01 -9.512292066e-01 4.08 -9.199849697e-01 -9.199849697e-01 4.10 -8.898113207e-01 -8.898113207e-01 4.12 -8.606488030e-01 -8.606488030e-01 4.14 -8.324393896e-01 -8.324393896e-01 4.16 -8.051276555e-01 -8.051276555e-01 4.18 -7.786609748e-01 -7.786609748e-01 4.20 -7.529897847e-01 -7.529897847e-01 4.22 -7.280677904e-01 -7.280677904e-01 4.24 -7.038521586e-01 -7.038521586e-01 4.26 -6.803037389e-01 -6.803037389e-01 4.28 -6.573873338e-01 -6.573873338e-01 4.30 -6.350720254e-01 -6.350720254e-01 4.32 -6.133315413e-01 -6.133315413e-01 4.34 -5.921446256e-01 -5.921446256e-01 4.36 -5.714953555e-01 -5.714953555e-01 4.38 -5.513733311e-01 -5.513733311e-01 4.40 -5.317736571e-01 -5.317736571e-01 4.42 -5.126966386e-01 -5.126966386e-01 4.44 -4.941471377e-01 -4.941471377e-01 4.46 -4.761335740e-01 -4.761335740e-01 4.48 -4.586666049e-01 -4.586666049e-01 4.50 -4.417575769e-01 -4.417575769e-01 4.52 -4.254168863e-01 -4.254168863e-01 4.54 -4.096524151e-01 -4.096524151e-01 4.56 -3.944682048e-01 -3.944682048e-01 4.58 -3.798634991e-01 -3.798634991e-01 4.60 -3.658322324e-01 -3.658322324e-01 4.62 -3.523629757e-01 -3.523629757e-01 4.64 -3.394392918e-01 -3.394392918e-01 4.66 -3.270404105e-01 -3.270404105e-01 4.68 -3.151421127e-01 -3.151421127e-01 4.70 -3.037177110e-01 -3.037177110e-01 4.72 -2.927390365e-01 -2.927390365e-01 4.74 -2.821773619e-01 -2.821773619e-01 4.76 -2.720042223e-01 -2.720042223e-01 4.78 -2.621921177e-01 -2.621921177e-01 4.80 -2.527150167e-01 -2.527150167e-01 4.82 -2.435491860e-01 -2.435491860e-01 4.84 -2.346730415e-01 -2.346730415e-01 4.86 -2.260678451e-01 -2.260678451e-01 4.88 -2.177178498e-01 -2.177178498e-01 4.90 -2.096104674e-01 -2.096104674e-01 4.92 -2.017363446e-01 -2.017363446e-01 4.94 -1.940893266e-01 -1.940893266e-01 4.96 -1.866662848e-01 -1.866662848e-01 4.98 -1.794667911e-01 -1.794667911e-01 5.00 -1.724926339e-01 -1.724926339e-01 5.02 -1.657471893e-01 -1.657471893e-01 5.04 -1.592346826e-01 -1.592346826e-01 5.06 -1.529593952e-01 -1.529593952e-01 5.08 -1.469248382e-01 -1.469248382e-01 5.10 -1.411328167e-01 -1.411328167e-01 5.12 -1.355837043e-01 -1.355837043e-01 5.14 -1.302756438e-01 -1.302756438e-01 5.16 -1.252042997e-01 -1.252042997e-01 5.18 -1.203629388e-01 -1.203629388e-01 5.20 -1.157426752e-01 -1.157426752e-01 5.22 -1.113328278e-01 -1.113328278e-01 5.24 -1.071213378e-01 -1.071213378e-01 5.26 -1.030951978e-01 -1.030951978e-01 5.28 -9.924085351e-02 -9.924085351e-02 5.30 -9.554455522e-02 -9.554455522e-02 5.32 -9.199264326e-02 -9.199264326e-02 5.34 -8.857176731e-02 -8.857176731e-02 5.36 -8.526904354e-02 -8.526904354e-02 5.38 -8.207215961e-02 -8.207215961e-02 5.40 -7.896943967e-02 -7.896943967e-02 5.42 -7.594988220e-02 -7.594988220e-02 5.44 -7.300318251e-02 -7.300318251e-02 5.46 -7.011975101e-02 -7.011975101e-02 5.48 -6.729073605e-02 -6.729073605e-02 5.50 -6.450805874e-02 -6.450805874e-02 5.52 -6.176446467e-02 -6.176446467e-02 5.54 -5.905359588e-02 -5.905359588e-02 5.56 -5.637008333e-02 -5.637008333e-02 5.58 -5.370965820e-02 -5.370965820e-02 5.60 -5.106927683e-02 -5.106927683e-02 5.62 -4.844725121e-02 -4.844725121e-02 5.64 -4.584337354e-02 -4.584337354e-02 5.66 -4.325902002e-02 -4.325902002e-02 5.68 -4.069721967e-02 -4.069721967e-02 5.70 -3.816266645e-02 -3.816266645e-02 5.72 -3.566166099e-02 -3.566166099e-02 5.74 -3.320196875e-02 -3.320196875e-02 5.76 -3.079258794e-02 -3.079258794e-02 5.78 -2.844342976e-02 -2.844342976e-02 5.80 -2.616491796e-02 -2.616491796e-02 5.82 -2.396753903e-02 -2.396753903e-02 5.84 -2.186136824e-02 -2.186136824e-02 5.86 -1.985560596e-02 -1.985560596e-02 5.88 -1.795816184e-02 -1.795816184e-02 5.90 -1.617531899e-02 -1.617531899e-02 5.92 -1.451140097e-02 -1.451140097e-02 5.94 -1.296862102e-02 -1.296862102e-02 5.96 -1.154762347e-02 -1.154762347e-02 5.98 -1.024715160e-02 -1.024715160e-02 6.00 -9.064213696e-03 -9.064213696e-03